N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide

C5H5ClN4O2S — CID 80618648

IUPACN'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C5H5ClN4O2S/c1-2(11)7-8-3(12)4-9-10-5(6)13-4/h1H3,(H,7,11)(H,8,12)
InChIKeyHUAXJDFEEXMTCL-UHFFFAOYSA-N
MW220.64 g/mol
LogP-0.03
Rot. Bonds1

About N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide

N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide (PubChem CID 80618648) has the molecular formula C5H5ClN4O2S and a molecular weight of 220.64 g/mol. Its IUPAC name is N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide
PubChem CID80618648
Molecular FormulaC5H5ClN4O2S
Molecular Weight220.64 g/mol
Exact Mass219.98
IUPAC NameN'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C5H5ClN4O2S/c1-2(11)7-8-3(12)4-9-10-5(6)13-4/h1H3,(H,7,11)(H,8,12)
InChIKeyHUAXJDFEEXMTCL-UHFFFAOYSA-N
XLogP-0.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.64
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619295
5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80625648
5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626070
methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)amino]-2-methylpropanoate
CID 80625112
5-chloro-N-[1-(hydroxymethyl)cyclopentyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618344
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619325
5-chloro-N-(3-hydroxypropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625182
N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619701
5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625511
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625727
N-(4-amino-4-oxobutyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80624913
N-(3-aminopropyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80619306

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide?
The IUPAC name of N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide (CID 80618648) is N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide?
The canonical SMILES for N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide is CC(=O)NNC(=O)c1nnc(Cl)s1.
What is the InChIKey of N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide?
The InChIKey is HUAXJDFEEXMTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN4O2S/c1-2(11)7-8-3(12)4-9-10-5(6)13-4/h1H3,(H,7,11)(H,8,12).
What are the key properties of N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide?
N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide has a molecular weight of 220.64 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-chloro-1,3,4-thiadiazole-2-carbohydrazide is sourced from PubChem (CID 80618648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).